Compound Detail
CHEMBL174634
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL174634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWUGNRVNSPIEKA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.58 | 5.58 | 2650.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2650.0 | nM | 5.58 | Tested in vitro for inhibition of EGF-receptor tyrosine kinase | 10853665 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6000.0 | nM | 5.22 | Tested for inhibition of protein tyrosine kinase c-Src phosphorylation | 10853665 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of c-Src kinase (unknown origin) | - |
| Cyclin-dependent kinase 1 | IC50 | = | 90000.0 | nM | 4.05 | Tested in vitro for inhibition of serine/threonine kinase Cdc2 | 10853665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Epidermal growth factor receptor | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Vascular endothelial growth factor receptor 2 | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Tyrosine-protein kinase ABL | 1 |
| 10853665 | 10.1016/s0960-894x(00)00131-1 | Cyclin-dependent kinase 1 | 1 |
| - | 10.1007/s00044-012-0308-3 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine